propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium

C10H11N3Y-2 — CID 58546778

IUPACpropane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium
SMILESC[CH-]C.[Y].[c-]1ncnc2ccncc12
InChIInChI=1S/C7H4N3.C3H7.Y/c1-2-8-3-6-4-9-5-10-7(1)6;1-3-2;/h1-3,5H;3H,1-2H3;/q2*-1;
InChIKeySDWFRQQHVCTUNQ-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.05
Rot. Bonds

About propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium

propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium (PubChem CID 58546778) has the molecular formula C10H11N3Y-2 and a molecular weight of 262.12 g/mol. Its IUPAC name is propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium.

Molecular Properties

Compound Namepropane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium
PubChem CID58546778
Molecular FormulaC10H11N3Y-2
Molecular Weight262.12 g/mol
Exact Mass262.00
IUPAC Namepropane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium
SMILESC[CH-]C.[Y].[c-]1ncnc2ccncc12
InChIInChI=1S/C7H4N3.C3H7.Y/c1-2-8-3-6-4-9-5-10-7(1)6;1-3-2;/h1-3,5H;3H,1-2H3;/q2*-1;
InChIKeySDWFRQQHVCTUNQ-UHFFFAOYSA-N
XLogP2.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

propane;2H-pyrido[3,4-d]pyrimidin-2-ide;yttrium
CID 58547126
propane;2H-pyrido[4,3-d]pyrimidin-2-ide;yttrium
CID 58547370
4,5-bis(ethenyl)-2H-pyrimidin-2-ide;ethane;yttrium
CID 171556695

Frequently Asked Questions

What is the IUPAC name of propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium?
The IUPAC name of propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium (CID 58546778) is propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium.
What is the SMILES notation for propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium?
The canonical SMILES for propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium is C[CH-]C.[Y].[c-]1ncnc2ccncc12.
What is the InChIKey of propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium?
The InChIKey is SDWFRQQHVCTUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N3.C3H7.Y/c1-2-8-3-6-4-9-5-10-7(1)6;1-3-2;/h1-3,5H;3H,1-2H3;/q2*-1;.
What are the key properties of propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium?
propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium has a molecular weight of 262.12 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;4H-pyrido[4,3-d]pyrimidin-4-ide;yttrium is sourced from PubChem (CID 58546778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).